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MCULE-3098585461
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 48 USD | 90 | 22 working days | Get Quote |
| 5 mg | 70 USD | 90 | 22 working days | Get Quote |
| 10 mg | 88 USD | 90 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3098585461.sdf |
| SMILES | MCULE-3098585461.smiles |
| Standard InChI | MCULE-3098585461.inchi |
| InChIKey | MCULE-3098585461.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-504697485 | 85 | As is | 5 mg |
| P-584563659 | 90 | As is | 23 mg |
| P-240857 | 90 | As is | 476 mg |
| P-34701600 | 90 | As is | by synthesis |
| P-24048286 | 90 | As is | in stock |
| P-22601559 | 90 | As is | in stock |
| P-2135002 | 90 | As is | 124 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 394.288 |
| logP | 5.6276 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 66.4 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 104.601 |
| Atoms | 47 |
| Rings | 2 |
| Heavy atoms | 26 |
| Hydrogen atoms | 21 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
